4-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine

C14H11Cl2N5 — CID 16679493

IUPAC4-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine
SMILESClc1cccc(-n2cnnc2NCc2cccnc2)c1Cl
InChIInChI=1S/C14H11Cl2N5/c15-11-4-1-5-12(13(11)16)21-9-19-20-14(21)18-8-10-3-2-6-17-7-10/h1-7,9H,8H2,(H,18,20)
InChIKeyDVGPNXPGQVVOPB-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.58
Rot. Bonds4

About 4-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine

4-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine (PubChem CID 16679493) has the molecular formula C14H11Cl2N5 and a molecular weight of 320.18 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine
PubChem CID16679493
Molecular FormulaC14H11Cl2N5
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name4-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine
SMILESClc1cccc(-n2cnnc2NCc2cccnc2)c1Cl
InChIInChI=1S/C14H11Cl2N5/c15-11-4-1-5-12(13(11)16)21-9-19-20-14(21)18-8-10-3-2-6-17-7-10/h1-7,9H,8H2,(H,18,20)
InChIKeyDVGPNXPGQVVOPB-UHFFFAOYSA-N
XLogP3.58
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N2-(3,5-dichlorophenyl)-4-(1H-pyrrol-1-yl)-1,3,5-triazin-2-amine
CID 2730357
N-(2-chlorophenyl)-4-(1H-pyrrol-1-yl)-1,3,5-triazin-2-amine
CID 2730361
3-[[1-(2,3-Dichloro-4-fluorophenyl)tetrazol-5-yl]methyl]pyridine
CID 11530593
3-{[1-(2,3-dichlorophenyl)-1H-tetraazol-5-yl]methyl}pyridine
CID 11630893
N-[[2-(azetidin-1-yl)-3-pyridinyl]methyl]-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine
CID 16678190
2-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine
CID 16678191
2-(2,3-dichlorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine
CID 16678192
4-(2,3-dichlorophenyl)-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine
CID 16679400
2-[4-[3-[[[4-(2,3-Dichlorophenyl)-1,2,4-triazol-3-yl]amino]methyl]-2-pyridinyl]-1,4-diazepan-1-yl]acetamide
CID 16679489
4-(2,3-dichlorophenyl)-N-[[2-(4-propan-2-yl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1,2,4-triazol-3-amine
CID 16679490
4-(2,3-dichlorophenyl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine
CID 16679491
4-(2,3-dichlorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]-1,2,4-triazol-3-amine
CID 16679494

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 4-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine (CID 16679493) is 4-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 4-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine is Clc1cccc(-n2cnnc2NCc2cccnc2)c1Cl.
What is the InChIKey of 4-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine?
The InChIKey is DVGPNXPGQVVOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5/c15-11-4-1-5-12(13(11)16)21-9-19-20-14(21)18-8-10-3-2-6-17-7-10/h1-7,9H,8H2,(H,18,20).
What are the key properties of 4-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine?
4-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine has a molecular weight of 320.18 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-N-(pyridin-3-ylmethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 16679493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).